compound 23 [PMID: 17600705]

Ligand id: 8146

Name: compound 23 [PMID: 17600705]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 138.61
Molecular weight 371.11
XLogP 2.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[[4-(5-hydroxy-2-methylanilino)pyrimidin-2-yl]amino]benzenesulfonamide
Database Links
BindingDB Ligand 26166
ChEMBL Ligand CHEMBL249317
GtoPdb PubChem SID 249565826
PubChem CID 23657507
Search Google for chemical match using the InChIKey LKLIRPMEYRVLFV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LKLIRPMEYRVLFV
Search UniChem for chemical match using the InChIKey LKLIRPMEYRVLFV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LKLIRPMEYRVLFV
Comments
Compound 23 is one of the analogues assessed in a study to find novel inhibitors of LCK proto-oncogene (Lck) kinase activity [1].